⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17694219 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL5907100 | 0.72 | — | — | |
| SCHEMBL790770 | 0.72 | — | — | |
| SCHEMBL27655975 | 0.72 | — | — | |
| SCHEMBL790100 | 0.72 | — | — | |
| SCHEMBL790099 | 0.72 | — | — | |
| SCHEMBL720112 | 0.72 | — | — | |
| SCHEMBL789871 | 0.72 | — | — | |
| SCHEMBL8492202 | 0.72 | — | — | |
| SCHEMBL722218 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2439191-B1 | METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND | ASAHI CHEMICAL IND (JP) | 2017-01-25 | — | — | EP | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20130131169-A1 | COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-05-23 | — | — | US | disclosed |
| US-8377458-B2 | Cooling sensation agent composition, sensory stimulation agent composition and use of the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-02-19 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| US-20110081393-A1 | COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME | TAKASAGO INTERNATIONAL CORPORATION | 2011-04-07 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| CN-1035819-A | The production method of phenol and/or pimelinketone | MITSUI PETROCHEMICAL IND (JP) | 1989-09-27 | — | — | CN | disclosed |
| US-3956282-A | Method for preparing azines | TELLIER PIERRE | 1976-05-11 | — | — | US | disclosed |